SCHEMBL2470992

SCHEMBL2470992

COc1cccc(C(=O)NCC2(c3ccccc3)CCN(S(N)(=O)=O)CC2)c1OC

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
SLC6A9 P48067 1/20 0.67
ALDH1A1 P00352 1/20 0.61
KCNA3 P22001 13/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
P2RX7 Q99572 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2470690 0.92 SLC6A9 (0.78) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2468577 0.88 MEN1 (0.73) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2496172 0.88 SLC6A9 (0.63) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2469665 0.85 SLC6A9 (0.60) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2472838 0.85 SLC6A9 (0.68) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2472638 0.85 SLC6A9 (0.65) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2465500 0.84 SLC6A9 (0.64) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2473762 0.84 SLC6A9 (0.64) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL6435617 0.84 SLC6A9 (0.89) MEN1KMT2ASLC6A9ALDH1A1KCNA3
SCHEMBL2471136 0.83 SLC6A9 (0.62) MEN1KMT2ASLC6A9ALDH1A1KCNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 MEN1 3501/4885KMT2A 957/4885SLC6A9 2351/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 MEN1 3501/4885KMT2A 957/4885SLC6A9 2351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.